N'-hydroxy-4-[[(1-methylsulfanylcyclohexyl)methylamino]methyl]pyridine-2-carboximidamide

C15H24N4OS — CID 136762569

IUPACN'-hydroxy-4-[[(1-methylsulfanylcyclohexyl)methylamino]methyl]pyridine-2-carboximidamide
SMILESCSC1(CNCc2ccnc(/C(N)=N/O)c2)CCCCC1
InChIInChI=1S/C15H24N4OS/c1-21-15(6-3-2-4-7-15)11-17-10-12-5-8-18-13(9-12)14(16)19-20/h5,8-9,17,20H,2-4,6-7,10-11H2,1H3,(H2,16,19)
InChIKeyVSBFNPIHTJOFOC-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.33
Rot. Bonds6

About N'-hydroxy-4-[[(1-methylsulfanylcyclohexyl)methylamino]methyl]pyridine-2-carboximidamide

N'-hydroxy-4-[[(1-methylsulfanylcyclohexyl)methylamino]methyl]pyridine-2-carboximidamide (PubChem CID 136762569) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is N'-hydroxy-4-[[(1-methylsulfanylcyclohexyl)methylamino]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[(1-methylsulfanylcyclohexyl)methylamino]methyl]pyridine-2-carboximidamide
PubChem CID136762569
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC NameN'-hydroxy-4-[[(1-methylsulfanylcyclohexyl)methylamino]methyl]pyridine-2-carboximidamide
SMILESCSC1(CNCc2ccnc(/C(N)=N/O)c2)CCCCC1
InChIInChI=1S/C15H24N4OS/c1-21-15(6-3-2-4-7-15)11-17-10-12-5-8-18-13(9-12)14(16)19-20/h5,8-9,17,20H,2-4,6-7,10-11H2,1H3,(H2,16,19)
InChIKeyVSBFNPIHTJOFOC-UHFFFAOYSA-N
XLogP2.33
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-[[(1-propylcyclopropyl)methylamino]methyl]pyridine-2-carboximidamide
CID 136711900
N'-hydroxy-4-[[(3-methoxyoxolan-3-yl)methylamino]methyl]pyridine-2-carboximidamide
CID 136816981
4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]pyridine-2-carbonitrile
CID 114116374
N'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide
CID 136896845
N'-hydroxy-4-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]pyridine-2-carboximidamide
CID 136805792
N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide
CID 136920360
4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136960720
3-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-2,2-dimethylpropanamide
CID 136843222
N'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide
CID 136987934
N'-hydroxy-4-[(2-methylsulfanylanilino)methyl]pyridine-2-carboximidamide
CID 136759655
N-tert-butyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]acetamide
CID 136965485
4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136930444

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[[(1-methylsulfanylcyclohexyl)methylamino]methyl]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[[(1-methylsulfanylcyclohexyl)methylamino]methyl]pyridine-2-carboximidamide (CID 136762569) is N'-hydroxy-4-[[(1-methylsulfanylcyclohexyl)methylamino]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[[(1-methylsulfanylcyclohexyl)methylamino]methyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[[(1-methylsulfanylcyclohexyl)methylamino]methyl]pyridine-2-carboximidamide is CSC1(CNCc2ccnc(/C(N)=N/O)c2)CCCCC1.
What is the InChIKey of N'-hydroxy-4-[[(1-methylsulfanylcyclohexyl)methylamino]methyl]pyridine-2-carboximidamide?
The InChIKey is VSBFNPIHTJOFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-21-15(6-3-2-4-7-15)11-17-10-12-5-8-18-13(9-12)14(16)19-20/h5,8-9,17,20H,2-4,6-7,10-11H2,1H3,(H2,16,19).
What are the key properties of N'-hydroxy-4-[[(1-methylsulfanylcyclohexyl)methylamino]methyl]pyridine-2-carboximidamide?
N'-hydroxy-4-[[(1-methylsulfanylcyclohexyl)methylamino]methyl]pyridine-2-carboximidamide has a molecular weight of 308.45 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[(1-methylsulfanylcyclohexyl)methylamino]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 136762569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).